1-Phenylcyclopropanemethylamine

Base Information

• Chemical Name: 1-Phenylcyclopropanemethylamine
• CAS No.: 935-42-2
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• Hs Code.: 2921499090
• European Community (EC) Number: 213-302-4
• DSSTox Substance ID: DTXSID20239451
• Nikkaji Number: J298.527F
• Wikidata: Q72501597
• ChEMBL ID: CHEMBL61251
• Mol file: 935-42-2.mol

Synonyms:1-(phenylcyclopropyl)methylamine;1-PCPMA

Chemical Property of 1-Phenylcyclopropanemethylamine

Chemical Property:

• Vapor Pressure: 0.0473mmHg at 25°C
• Melting Point: 230-233 °C
• Boiling Point: 236.5°Cat760mmHg
• PKA: 10.36±0.29(Predicted)
• Flash Point: 99.2°C
• PSA: 26.02000
• Density: 1.047g/cm³
• LogP: 2.37720
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

(1-Phenylcyclopropyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(CN)C2=CC=CC=C2

Technology Process of 1-Phenylcyclopropanemethylamine

There total 6 articles about 1-Phenylcyclopropanemethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-cyano-1-phenylcyclopropane (935-44-4) → (1-phenylcyclopropyl)methylamine (935-42-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02557

Reference yield:

1-phenyl-1-cyclopropanecarboxamide (6120-96-3) → (1-phenylcyclopropyl)methylamine (935-42-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 23 - 65 ℃;

Reference yield:

1-cyano-1-phenylcyclopropane (935-44-4) + phenylacetonitrile (140-29-4) + ethylene dibromide (106-93-4) → (1-phenylcyclopropyl)methylamine (935-42-2)

Guidance literature:

With LiAlH₄; NaH; In water; dimethyl sulfoxide;

upstream raw materials:

1-cyano-1-phenylcyclopropane

phenylacetonitrile

ethylene dibromide

1-phenyl-1-cyclopropanecarboxamide

Downstream raw materials:

C₁₀H₁₄N₂O₂S

sec-Butyl-(1-phenyl-cyclopropylmethyl)-amine

1-phenyl-1-cyclobutanol

1-phenyl-cyclopropanecarbaldehyde-(2,4-dinitro-phenylhydrazone)